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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096865

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1096865
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Al', 'Fe', 'B', 'O']
  • Chemical System: Al-B-Fe-O
  • Density: 4.330970193038454
  • Atomic Density: 0.10229034391552373
  • Unit Cell Volume: 351.9393778725637
  • Molar Volume: 5.887301312598355
  • Full Formula: Al4 Fe8 B4 O20
  • Reduced Formula: AlFe2BO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -296.12383264
  • Final energy per atom: -8.225662017777777
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.